    Atoms
    1 W      -2.024871000000      -0.505762000000      -0.002963000000     R=1.992
    2 W       0.538498000000       1.969696000000      -0.007368000000     R=1.992
    3 W       1.556477000000      -1.377343000000      -0.013444000000     R=1.992
    4 O      -2.118846000000      -0.409571000000      -1.747063000000     R=1.72
    5 O       0.249998000000      -2.492857000000      -0.532989000000     R=1.72
    6 O       0.679951000000       2.416056000000       1.689648000000     R=1.72
    7 O      -1.162031000000       2.076648000000      -0.536994000000     R=1.72
    8 O       1.682739000000       0.486887000000      -0.557024000000     R=1.72
    9 O       1.895580000000      -1.621519000000       1.691277000000     R=1.72
    10 O       1.351900000000       3.264820000000      -0.872674000000     R=1.72
    11 O       2.985581000000      -1.987854000000      -0.829148000000     R=1.72
    12 O      -2.237150000000      -2.349193000000       0.398632000000     R=1.72
    13 O      -0.413561000000      -0.114912000000       0.749325000000     R=1.72
    14 O      -3.391598000000       0.272212000000       0.755651000000     R=1.72
    15 H      -1.368197000000      -2.733476000000       0.090251000000     R=1.30
    End
    GUIBonds
        1 1 14 2.0
        2 1 4 2.0
        3 1 13 1.0
        4 1 12 1.0
        5 2 10 2.0
        6 2 6 2.0
        7 2 7 2.0
        8 2 8 1.0
        9 2 13 1.0
        10 3 11 2.0
        11 3 9 2.0
        12 3 5 2.0
        13 3 8 1.0
        14 12 15 1.0
    End
    NoPrint LOGFILE
    XC
        GGA PBE
    End
    Relativistic Scalar ZORA
    Geometry
        Transitionstate
            Mode 1
        End
        Optim Delocalized
    End
    Charge -3
    SOLVATION
        Surf Delley
        Solv name=Water cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL
        CSMRSP
    END
    AnalyticalFreq
    End
    NumericalQuality Good
    ScanFreq -1000 0
    TSRC
        DIST 13 2 -1.0
        DIST 13 3 -1.0
        DIST 15 5 -1.0
    END

